SCHEMBL4477603

SCHEMBL4477603

CC1(C)c2[nH]nc(NC(=O)c3ccccc3F)c2CN1C(=O)Cc1cccs1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.59
PRKCB P05771 9/20 0.54
CCNA2 P20248 4/20 0.50
CDK2 P24941 4/20 0.50
CCNA1 P78396 4/20 0.50
NTRK1 P04629 4/20 0.49
AURKA O14965 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2915171 0.87 CDK2 (0.64) PAK4PRKCBCCNA2CDK2CCNA1
SCHEMBL3484573 0.87 PAK4 (0.63) PAK4PRKCBCCNA2CDK2CCNA1
SCHEMBL4477599 0.84 HPGD (0.42) PAK4PRKCBAURKA
SCHEMBL2922180 0.83 PRKCB (0.51) PAK4PRKCBCCNA2CDK2CCNA1
SCHEMBL2915167 0.83 AURKA (0.69) PAK4CCNA2CDK2CCNA1NTRK1
SCHEMBL2924218 0.82 CCNA2 (0.56) PAK4PRKCBCCNA2CDK2CCNA1
SCHEMBL1987489 0.82 CCNA2 (0.61) PAK4PRKCBCCNA2CDK2CCNA1
SCHEMBL3485966 0.80 AURKA (0.70) CCNA2CDK2CCNA1NTRK1AURKA
SCHEMBL5110745 0.80 CCNA2 (0.72) PAK4PRKCBCCNA2CDK2CCNA1
SCHEMBL2913491 0.79 CDK2 (0.47) PRKCBCCNA2CDK2CCNA1NTRK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
US-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 PAK4 259/4885PRKCB 29/4885CCNA2 848/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.